4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid

C16H13N3O2 — CID 118978744

IUPAC4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid
SMILESCc1cc(-n2ccnc2)cnc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C16H13N3O2/c1-11-8-14(19-7-6-17-10-19)9-18-15(11)12-2-4-13(5-3-12)16(20)21/h2-10H,1H3,(H,20,21)
InChIKeyRVSYIYQSUPXNGM-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.94
Rot. Bonds3

About 4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid

4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid (PubChem CID 118978744) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid
PubChem CID118978744
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid
SMILESCc1cc(-n2ccnc2)cnc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C16H13N3O2/c1-11-8-14(19-7-6-17-10-19)9-18-15(11)12-2-4-13(5-3-12)16(20)21/h2-10H,1H3,(H,20,21)
InChIKeyRVSYIYQSUPXNGM-UHFFFAOYSA-N
XLogP2.94
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Miroprofen
CID 68752
3-((2'-Carboxybiphenyl-4-yl)methyl)-2-cyclopropyl-7-methyl-3H-imidazo(4,5-b)pyridine
CID 131857
Zolpidem carboxylic acid
CID 11966044
4-(1-Imidazolyl)benzoic Acid
CID 736529
4-[[2-butyl-5-[(E)-2-carboxyhex-1-enyl]imidazol-1-yl]methyl]benzoic acid
CID 14952957
4-[[2-butyl-5-[(E)-2-carboxy-3-phenylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid
CID 14952959
4-[4-[8-[(3-Methyl-2-pyridinyl)methyl]-2,4-dioxo-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decan-3-yl]phenyl]benzoic acid
CID 49848258
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
2-(1H-1,3-benzodiazol-1-yl)benzoic acid
CID 703493
AP-24600
CID 58945624
SL-84.0877
CID 13691335
Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338

Frequently Asked Questions

What is the IUPAC name of 4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid?
The IUPAC name of 4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid (CID 118978744) is 4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid.
What is the SMILES notation for 4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid?
The canonical SMILES for 4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid is Cc1cc(-n2ccnc2)cnc1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid?
The InChIKey is RVSYIYQSUPXNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-8-14(19-7-6-17-10-19)9-18-15(11)12-2-4-13(5-3-12)16(20)21/h2-10H,1H3,(H,20,21).
What are the key properties of 4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid?
4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid has a molecular weight of 279.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid is sourced from PubChem (CID 118978744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).